SCHEMBL5023200

SCHEMBL5023200

Nc1cccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.84
NR1I2 O75469 4/20 0.73
RORA P35398 4/20 0.73
NR1H2 P55055 4/20 0.73
NR1H3 Q13133 4/20 0.73
RORB Q92753 4/20 0.73
NR1H4 Q96RI1 4/20 0.73
CPT2 P23786 1/20 0.57
CPT1A P50416 1/20 0.57
CPT1B Q92523 1/20 0.57
MAPT P10636 2/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5023195 0.90 RORC (0.90) RORCNR1I2RORANR1H2NR1H3
SCHEMBL28843031 0.88 RORC (0.83) RORCNR1I2RORANR1H2NR1H3
SCHEMBL29935406 0.88 RORC (0.83) RORCNR1I2RORANR1H2NR1H3
SCHEMBL18359198 0.88 RORC (0.83) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5022112 0.86 RORC (0.80) RORCNR1I2RORANR1H2NR1H3
SCHEMBL15628988 0.86 RORC (0.80) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5023206 0.85 RORC (1.00) RORCNR1I2RORANR1H2NR1H3
SCHEMBL15628911 0.84 RORC (0.80) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5023460 0.84 RORC (0.83) RORCNR1I2RORANR1H2NR1H3
SCHEMBL15629061 0.84 RORC (1.00) RORCNR1I2RORANR1H2NR1H3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064744-A2 TETRAHYDROQUINOLINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORϒ ACTIVITY AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2012-05-18 WO disclosed